Geometry & MOs

Info

ID:	242931
PubChem CID:	99214358
Reduced:	SN2O6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	-169.65
Dipole, Da:	1.81
IP(EA), eV:	-9.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)NOC

DOS

IR

Vibrations